SCHEMBL2320339

SCHEMBL2320339

O=C(CC1CCN(C(=O)C2CC2)CC1)Nc1ccc(-c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.56
PTPN1 P18031 2/20 0.53
NAMPT P43490 4/20 0.52
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
PTPN2 P17706 1/20 0.49
RXRA P19793 1/20 0.48
RXRB P28702 1/20 0.48
RXRG P48443 1/20 0.48
IDO1 P14902 1/20 0.48
FASN P49327 1/20 0.48
TPSAB1 Q15661 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
USP30 Q70CQ3 1/20 0.47
MITF O75030 1/20 0.47
ALDH1A1 P00352 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2322857 0.86 EPHX2 (0.56) EPHX2NAMPTKMT2AMEN1
SCHEMBL2317806 0.86 EPHX2 (0.55) EPHX2PTPN1NAMPTKMT2ASMN1; SMN2
SCHEMBL2315693 0.83 EPHX2 (0.58) EPHX2PTPN1NAMPTKMT2ASMN1; SMN2
SCHEMBL2320392 0.81 EPHX2 (0.54) EPHX2PTPN1NAMPTKMT2ASMN1; SMN2
SCHEMBL2316963 0.80 PTPN2 (0.64) PTPN1NAMPTPTPN2USP30ALDH1A1
SCHEMBL2317254 0.79 SMN1; SMN2 (0.51) EPHX2PTPN1NAMPTKMT2ASMN1; SMN2
SCHEMBL224339 0.78 PTPN1 (0.60) PTPN1NAMPTKMT2ASMN1; SMN2MEN1
SCHEMBL2319255 0.78 EPHX2 (0.60) EPHX2PTPN1NAMPTKMT2ASMN1; SMN2
SCHEMBL20838698 0.76 IDO1 (0.78) EPHX2NAMPTKMT2ASMN1; SMN2IDO1
Hydrochloric Acid SCHEMBL2318668 0.76 EPHX2 (0.58) EPHX2PTPN1NAMPTKMT2ASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110230497-A1 BIOLOGICALLY ACTIVE AMIDES H. LUNDBECK A/S (DK) 2011-09-22 US disclosed
US-20110230497-A1 BIOLOGICALLY ACTIVE AMIDES H. LUNDBECK A/S (DK) 2011-09-22 US disclosed
US-20110230497-A1 BIOLOGICALLY ACTIVE AMIDES H. LUNDBECK A/S (DK) 2011-09-22 US disclosed
EP-2352730-A2 BIOLOGICALLY ACTIVE AMIDES H. Lundbeck A/S (DK) 2011-08-10 EP disclosed
WO-2010053861-A2 BIOLOGICALLY ACTIVE AMIDES H. LUNDBECK A/S (DK) 2010-05-14 WO disclosed
WO-2010053861-A2 BIOLOGICALLY ACTIVE AMIDES H. LUNDBECK A/S (DK) 2010-05-14 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110230497-A1 BIOLOGICALLY ACTIVE AMIDES NPY5R, NPY1R, NPY2R EPHX2 2159/4885PTPN1 767/4885NAMPT 1533/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.